[
  {
    "molid": "mol19332",
    "smiles": "O=P(O)(O)Cc1ccc(S)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)Cc1ccc(S)cc1",
        "std_free_energy": -10.9016752243042,
        "relative_population": 0.9946587761271993
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)Cc1ccc([S-])cc1",
        "std_free_energy": -8.983774185180664,
        "relative_population": 0.07374550247764386
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])Cc1ccc(S)cc1",
        "std_free_energy": -11.514303207397461,
        "relative_population": 0.9262544975223562
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]